#METABOLOMICS WORKBENCH elledog96_20231116_061946 DATATRACK_ID:4465 STUDY_ID:ST002984 ANALYSIS_ID:AN004904 PROJECT_ID:PR001859 VERSION 1 CREATED_ON November 27, 2023, 8:43 am #PROJECT PR:PROJECT_TITLE Amino acid catabolite markers for early prognostication of pneumonia in patients PR:PROJECT_TITLE with COVID-19 PR:PROJECT_SUMMARY Effective early-stage markers for predicting which patients are at risk of PR:PROJECT_SUMMARY developing SARS-CoV-2 infection have not been fully investigated. Here, we PR:PROJECT_SUMMARY performed comprehensive serum metabolome analysis of a total of 83 patients from PR:PROJECT_SUMMARY two cohorts to determine that the acceleration of amino acid catabolism within 5 PR:PROJECT_SUMMARY days from disease onset correlated with future disease severity. Increased PR:PROJECT_SUMMARY levels of de-aminated amino acid catabolites involved in the de novo nucleotide PR:PROJECT_SUMMARY synthesis pathway were identified as early prognostic markers that correlated PR:PROJECT_SUMMARY with the initial viral load. We further employed mice models of SARS-CoV2-MA10 PR:PROJECT_SUMMARY and influenza infection to demonstrate that such de-amination of amino acids and PR:PROJECT_SUMMARY de novo synthesis of nucleotides were associated with the abnormal proliferation PR:PROJECT_SUMMARY of airway and vascular tissue cells in the lungs during the early stages of PR:PROJECT_SUMMARY infection. Consequently, it can be concluded that lung parenchymal tissue PR:PROJECT_SUMMARY remodeling in the early stages of respiratory viral infections induces systemic PR:PROJECT_SUMMARY metabolic remodeling and that the associated key amino acid catabolites are PR:PROJECT_SUMMARY valid predictors for excessive inflammatory response in later disease stages. PR:INSTITUTE Graduate School of Medicine, Kyoto University PR:DEPARTMENT Center for Cancer Immunotherapy and Immunobiology PR:LABORATORY Sugiura-lab PR:LAST_NAME Sugiura PR:FIRST_NAME Yuki PR:ADDRESS Shogoin-Kawaramachi 53, Sakyo-ku, Kyoto 606-8507, Japan PR:EMAIL yuki.sgi@gmail.com PR:PHONE +818050027858 #STUDY ST:STUDY_TITLE Amino acid catabolite markers for early prognostication of pneumonia in patients ST:STUDY_TITLE with COVID-19 ST:STUDY_SUMMARY Effective early-stage markers for predicting which patients are at risk of ST:STUDY_SUMMARY developing SARS-CoV-2 infection have not been fully investigated. Here, we ST:STUDY_SUMMARY performed comprehensive serum metabolome analysis of a total of 83 patients from ST:STUDY_SUMMARY two cohorts to determine that the acceleration of amino acid catabolism within 5 ST:STUDY_SUMMARY days from disease onset correlated with future disease severity. Increased ST:STUDY_SUMMARY levels of de-aminated amino acid catabolites involved in the de novo nucleotide ST:STUDY_SUMMARY synthesis pathway were identified as early prognostic markers that correlated ST:STUDY_SUMMARY with the initial viral load. We further employed mice models of SARS-CoV2-MA10 ST:STUDY_SUMMARY and influenza infection to demonstrate that such de-amination of amino acids and ST:STUDY_SUMMARY de novo synthesis of nucleotides were associated with the abnormal proliferation ST:STUDY_SUMMARY of airway and vascular tissue cells in the lungs during the early stages of ST:STUDY_SUMMARY infection. Consequently, it can be concluded that lung parenchymal tissue ST:STUDY_SUMMARY remodeling in the early stages of respiratory viral infections induces systemic ST:STUDY_SUMMARY metabolic remodeling and that the associated key amino acid catabolites are ST:STUDY_SUMMARY valid predictors for excessive inflammatory response in later disease stages. ST:INSTITUTE Graduate School of Medicine, Kyoto University ST:DEPARTMENT Center for Cancer Immunotherapy and Immunobiology ST:LABORATORY Sugiura-lab ST:LAST_NAME Sugiura ST:FIRST_NAME Yuki ST:ADDRESS Shogoin-Kawaramachi 53,, Sakyo-ku, Kyoto, Kyoto, 160-8582, Japan ST:EMAIL yuki.sgi@gmail.com ST:PHONE +818050027858 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 1 Symotons:Negative RAW_FILE_NAME=1 SUBJECT_SAMPLE_FACTORS - 2 Symotons:Negative RAW_FILE_NAME=2 SUBJECT_SAMPLE_FACTORS - 3 Symotons:Negative RAW_FILE_NAME=3 SUBJECT_SAMPLE_FACTORS - 4 Symotons:Negative RAW_FILE_NAME=4 SUBJECT_SAMPLE_FACTORS - 5 Symotons:Negative RAW_FILE_NAME=5 SUBJECT_SAMPLE_FACTORS - 6 Symotons:Negative RAW_FILE_NAME=6 SUBJECT_SAMPLE_FACTORS - 7 Symotons:Negative RAW_FILE_NAME=7 SUBJECT_SAMPLE_FACTORS - 8 Symotons:Negative RAW_FILE_NAME=8 SUBJECT_SAMPLE_FACTORS - 9 Symotons:Negative RAW_FILE_NAME=9 SUBJECT_SAMPLE_FACTORS - 10 Symotons:Negative RAW_FILE_NAME=10 SUBJECT_SAMPLE_FACTORS - 11 Symotons:Negative RAW_FILE_NAME=11 SUBJECT_SAMPLE_FACTORS - 12 Symotons:Negative RAW_FILE_NAME=12 SUBJECT_SAMPLE_FACTORS - 13 Symotons:Negative RAW_FILE_NAME=13 SUBJECT_SAMPLE_FACTORS - 14 Symotons:Negative RAW_FILE_NAME=14 SUBJECT_SAMPLE_FACTORS - 15 Symotons:Negative RAW_FILE_NAME=15 SUBJECT_SAMPLE_FACTORS - 16 Symotons:Negative RAW_FILE_NAME=16 SUBJECT_SAMPLE_FACTORS - 17 Symotons:Negative RAW_FILE_NAME=17 SUBJECT_SAMPLE_FACTORS - 18 Symotons:asymptomatic RAW_FILE_NAME=18 SUBJECT_SAMPLE_FACTORS - 19 Symotons:asymptomatic RAW_FILE_NAME=19 SUBJECT_SAMPLE_FACTORS - 20 Symotons:asymptomatic RAW_FILE_NAME=20 SUBJECT_SAMPLE_FACTORS - 21 Symotons:asymptomatic RAW_FILE_NAME=21 SUBJECT_SAMPLE_FACTORS - 22 Symotons:asymptomatic RAW_FILE_NAME=22 SUBJECT_SAMPLE_FACTORS - 23 Symotons:asymptomatic RAW_FILE_NAME=23 SUBJECT_SAMPLE_FACTORS - 24 Symotons:asymptomatic RAW_FILE_NAME=24 SUBJECT_SAMPLE_FACTORS - 25 Symotons:mild RAW_FILE_NAME=25 SUBJECT_SAMPLE_FACTORS - 26 Symotons:mild RAW_FILE_NAME=26 SUBJECT_SAMPLE_FACTORS - 27 Symotons:mild RAW_FILE_NAME=27 SUBJECT_SAMPLE_FACTORS - 28 Symotons:mild RAW_FILE_NAME=28 SUBJECT_SAMPLE_FACTORS - 29 Symotons:mild RAW_FILE_NAME=29 SUBJECT_SAMPLE_FACTORS - 30 Symotons:mild RAW_FILE_NAME=30 SUBJECT_SAMPLE_FACTORS - 31 Symotons:mild RAW_FILE_NAME=31 SUBJECT_SAMPLE_FACTORS - 32 Symotons:mild RAW_FILE_NAME=32 SUBJECT_SAMPLE_FACTORS - 33 Symotons:mild RAW_FILE_NAME=33 SUBJECT_SAMPLE_FACTORS - 34 Symotons:mild RAW_FILE_NAME=34 SUBJECT_SAMPLE_FACTORS - 35 Symotons:mild RAW_FILE_NAME=35 SUBJECT_SAMPLE_FACTORS - 36 Symotons:mild RAW_FILE_NAME=36 SUBJECT_SAMPLE_FACTORS - 37 Symotons:mild RAW_FILE_NAME=37 SUBJECT_SAMPLE_FACTORS - 38 Symotons:mild RAW_FILE_NAME=38 SUBJECT_SAMPLE_FACTORS - 39 Symotons:mild RAW_FILE_NAME=39 SUBJECT_SAMPLE_FACTORS - 40 Symotons:mild RAW_FILE_NAME=40 SUBJECT_SAMPLE_FACTORS - 41 Symotons:mild RAW_FILE_NAME=41 SUBJECT_SAMPLE_FACTORS - 42 Symotons:moderate RAW_FILE_NAME=42 SUBJECT_SAMPLE_FACTORS - 43 Symotons:moderate RAW_FILE_NAME=43 SUBJECT_SAMPLE_FACTORS - 44 Symotons:moderate RAW_FILE_NAME=44 SUBJECT_SAMPLE_FACTORS - 45 Symotons:moderate RAW_FILE_NAME=45 SUBJECT_SAMPLE_FACTORS - 46 Symotons:moderate RAW_FILE_NAME=46 SUBJECT_SAMPLE_FACTORS - 47 Symotons:moderate RAW_FILE_NAME=47 SUBJECT_SAMPLE_FACTORS - 48 Symotons:moderate RAW_FILE_NAME=48 SUBJECT_SAMPLE_FACTORS - 49 Symotons:moderate RAW_FILE_NAME=49 SUBJECT_SAMPLE_FACTORS - 50 Symotons:moderate RAW_FILE_NAME=50 SUBJECT_SAMPLE_FACTORS - 51 Symotons:moderate RAW_FILE_NAME=51 SUBJECT_SAMPLE_FACTORS - 52 Symotons:moderate RAW_FILE_NAME=52 SUBJECT_SAMPLE_FACTORS - 53 Symotons:moderate RAW_FILE_NAME=53 SUBJECT_SAMPLE_FACTORS - 54 Symotons:moderate RAW_FILE_NAME=54 SUBJECT_SAMPLE_FACTORS - 55 Symotons:moderate RAW_FILE_NAME=55 SUBJECT_SAMPLE_FACTORS - 56 Symotons:moderate RAW_FILE_NAME=56 SUBJECT_SAMPLE_FACTORS - 57 Symotons:severe RAW_FILE_NAME=57 SUBJECT_SAMPLE_FACTORS - 58 Symotons:severe RAW_FILE_NAME=58 SUBJECT_SAMPLE_FACTORS - 59 Symotons:severe RAW_FILE_NAME=59 SUBJECT_SAMPLE_FACTORS - 60 Symotons:severe RAW_FILE_NAME=60 SUBJECT_SAMPLE_FACTORS - 61 Symotons:severe RAW_FILE_NAME=61 SUBJECT_SAMPLE_FACTORS - 62 Symotons:severe RAW_FILE_NAME=62 SUBJECT_SAMPLE_FACTORS - 63 Symotons:severe RAW_FILE_NAME=63 SUBJECT_SAMPLE_FACTORS - 64 Symotons:severe RAW_FILE_NAME=64 SUBJECT_SAMPLE_FACTORS - 65 Symotons:severe RAW_FILE_NAME=65 SUBJECT_SAMPLE_FACTORS - 66 Symotons:severe RAW_FILE_NAME=66 SUBJECT_SAMPLE_FACTORS - 67 Symotons:severe RAW_FILE_NAME=67 SUBJECT_SAMPLE_FACTORS - 68 Symotons:severe RAW_FILE_NAME=68 SUBJECT_SAMPLE_FACTORS - 69 Symotons:severe RAW_FILE_NAME=69 SUBJECT_SAMPLE_FACTORS - 70 Symotons:severe RAW_FILE_NAME=70 SUBJECT_SAMPLE_FACTORS - 71 Symotons:severe RAW_FILE_NAME=71 #COLLECTION CO:COLLECTION_SUMMARY Residual serum samples for biochemical and immunological tests were collected CO:COLLECTION_SUMMARY from patients with suspected SARS-CoV-2 infection who underwent RT-PCR testing CO:COLLECTION_SUMMARY of nasopharyngeal swab or saliva samples at Keio University Hospital or Osaka CO:COLLECTION_SUMMARY Metropolitan University Hospital from March 2020 to January 2021. The diagnosis CO:COLLECTION_SUMMARY of COVID-19 was based on a positive RT-PCR test from a nasopharyngeal swab or CO:COLLECTION_SUMMARY saliva sample. The classification of severity was based on the Japanese Ministry CO:COLLECTION_SUMMARY of Health, Labour and Welfare’s classification of severity (criteria for CO:COLLECTION_SUMMARY evaluation by healthcare professionals) and was defined as follows: CO:COLLECTION_SUMMARY asymptomatic, no symptoms associated with COVID-19; mild disease, CO:COLLECTION_SUMMARY SARS-CoV-2-positive with no findings of pneumonia; moderate disease, CO:COLLECTION_SUMMARY SARS-CoV-2-positive with findings of pneumonia but not requiring a ventilator or CO:COLLECTION_SUMMARY intensive care unit (ICU) management; and severe disease, SARS-CoV-2-positive CO:COLLECTION_SUMMARY requiring ventilator or ICU management, including death attributed to COVID-19 CO:COLLECTION_SUMMARY during the treatment period. For a negative control, residual serum samples were CO:COLLECTION_SUMMARY collected from patients who underwent RT-PCR testing using nasopharyngeal swab CO:COLLECTION_SUMMARY fluid between April and May 2020 at Keio University Hospital and received CO:COLLECTION_SUMMARY negative RT-PCR test results, making them clinically unlikely to have COVID-19. CO:COLLECTION_SUMMARY The study included the early patient cohorts of waves 1, 2, and 3 of COVID-19 CO:COLLECTION_SUMMARY conducted in Japan from March to December 2020. For cohorts 1 and 2, patients CO:COLLECTION_SUMMARY were not excluded because of comorbidities, as the main objective was to include CO:COLLECTION_SUMMARY the greatest possible number of severe cases for which specimens were available CO:COLLECTION_SUMMARY early after disease onset. Cases in the mild and moderate groups were selected CO:COLLECTION_SUMMARY based on matching age and sex distribution with the severe group. No specific CO:COLLECTION_SUMMARY exclusions were made in any group during the study period, mainly because the CO:COLLECTION_SUMMARY number of samples was limited. Asymptomatic and mildly symptomatic patients were CO:COLLECTION_SUMMARY selected for inclusion by balancing the sex ratio. The higher proportion of CO:COLLECTION_SUMMARY males in the moderate and severe categories is due to the observed tendency for CO:COLLECTION_SUMMARY males to be more severely affected. This was particularly true for patients CO:COLLECTION_SUMMARY hospitalized during the study period. Sample collection and utilization were CO:COLLECTION_SUMMARY conducted under the approval of the Ethics Committee of the Keio University CO:COLLECTION_SUMMARY School of Medicine (approval numbers 20200059 and 20200063) and the Ethics CO:COLLECTION_SUMMARY Committee of Osaka Metropolitan University Graduate School of Medicine (approval CO:COLLECTION_SUMMARY number 2020-003). The use of residual samples was conducted on an opt-out basis CO:COLLECTION_SUMMARY based on the approval of the relevant ethics committees. All samples were stored CO:COLLECTION_SUMMARY at -80 °C. CO:SAMPLE_TYPE Blood (serum) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No Treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen serum samples of Cohort-1 participants, together with internal standard SP:SAMPLEPREP_SUMMARY compounds were sonicated in ice-cold methanol (500 μL), to which an equal SP:SAMPLEPREP_SUMMARY volume of chloroform and 0.4 times the volume of ultrapure water (LC/MS grade, SP:SAMPLEPREP_SUMMARY Wako Pure Chemical, Tokyo, Japan) were added. The suspension was centrifuged at SP:SAMPLEPREP_SUMMARY 15,000 × g for 15 min at 4 °C. The aqueous phase was then filtered in an SP:SAMPLEPREP_SUMMARY ultrafiltration tube (Ultrafree MC-PLHCC, Human Metabolome Technologies, SP:SAMPLEPREP_SUMMARY Tsuruoka City, Japan), and the filtrate was concentrated using a vacuum SP:SAMPLEPREP_SUMMARY concentrator (SpeedVac; Thermo Fisher Scientific, Waltham, MA, USA). The SP:SAMPLEPREP_SUMMARY concentrated filtrate was dissolved in 50 μL ultrapure water and subjected to SP:SAMPLEPREP_SUMMARY IC-HR-MS analysis. Methionine sulfone (L-Met) and 2-morpholinoethanesulfonic SP:SAMPLEPREP_SUMMARY acid (MES) were used as internal standards for cationic and anionic metabolites, SP:SAMPLEPREP_SUMMARY respectively. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Cationic metabolite concentrations were determined by liquid CH:CHROMATOGRAPHY_SUMMARY chromatography-tandem mass spectrometry (LC-MS/MS). In essence, we employed a CH:CHROMATOGRAPHY_SUMMARY triple-quadrupole mass spectrometer equipped with an electrospray ionization CH:CHROMATOGRAPHY_SUMMARY (ESI) ion source (LCMS-8060, Shimadzu Corporation, Kyoto, Japan) operated in CH:CHROMATOGRAPHY_SUMMARY both positive and negative-ESI and in multiple reaction monitoring (MRM) modes. CH:CHROMATOGRAPHY_SUMMARY Analyte separation was achieved on a Discovery HS F5-3 column (2.1 mm I.D. × CH:CHROMATOGRAPHY_SUMMARY 150 mm L, 3 μm particle size; Sigma-Aldrich, St. Louis, MO, USA) through a CH:CHROMATOGRAPHY_SUMMARY gradient elution with mobile phase A (0.1% formate) and mobile phase B (0.1% CH:CHROMATOGRAPHY_SUMMARY acetonitrile). The elution profile was as follows: 100:0 (0–5 min), 75:25 CH:CHROMATOGRAPHY_SUMMARY (5–11 min), 65:35 (11–15 min), 5:95 (15–20 min), and 100:0 (20–25 min), CH:CHROMATOGRAPHY_SUMMARY with a constant flow rate of 0.25 mL/min and a column oven set at 40 °C. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Shimadzu Nexera X2 CH:COLUMN_NAME Sigma-Aldrich Discovery HS F5-3 (150 x 2.1 mm, 3 um) CH:SOLVENT_A 0.1% formate CH:SOLVENT_B acetonitrile with 0.1% formate CH:FLOW_GRADIENT 100:0 (0–5 min), 75:25 (5–11 min), 65:35 (11–15 min), 5:95 (15–20 min), CH:FLOW_GRADIENT and 100:0 (20–25 min) CH:FLOW_RATE 0.25 mL/min CH:COLUMN_TEMPERATURE 40 °C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME LCMS-8060, Shimadzu Corporation MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS For LC-MS/MS analysis, chromatographic peaks obtained with compound-specific SRM MS:MS_COMMENTS channels were integrated and manually reviewed. For a single target compound, MS:MS_COMMENTS one or more confirmatory SRM channels were set (if available) to confirm peak MS:MS_COMMENTS compound identification. Chromatograms were acquired using Lab Solutions (ver. MS:MS_COMMENTS 5.113, Shimadzu). Peak areas were determined using Data browser software. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area/Internal Standard MS_METABOLITE_DATA_START Samples 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 Factors Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:Negative Symotons:asymptomatic Symotons:asymptomatic Symotons:asymptomatic Symotons:asymptomatic Symotons:asymptomatic Symotons:asymptomatic Symotons:asymptomatic Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:mild Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:moderate Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Symotons:severe Ornithine 551446472.4 661105366.4 907629084.2 764291564.6 944281635.2 654250929.9 342735792 505289194.1 872981533.1 694708758 1179784249 815894167.9 687204268.9 800354172.2 967331092.4 894820066.2 574157600 598475283.7 470049497.8 679039868.6 707763954.9 444980299.5 501938705 992605959.3 551223204.4 559756078.9 795327700.8 884662944.2 416287212.3 510756592 503836579.3 431922767.9 568348618.8 506273553.7 634780225.3 402926796.1 502464986.7 546086973.7 535888496.7 701385784.3 550279554.9 518854438.6 1050045876 876930719.8 481749300.7 532497411 950615104.2 638861568.1 886705993.7 579080213.1 428102631.6 1100128402 649380952.4 636613423.6 838964769.1 500593544.1 415394500.7 528611147.2 642089805.3 694761058.8 694670588.2 588027376.4 834575219.9 554112305.7 736185580.3 799256573.1 867238992.3 1056680737 647692834.9 552045078.5 803509878 Serine 3594382055 2882617028 2379911634 2836432653 2833093082 2100927611 2783634462 3371687363 1238077933 3333744745 3380678324 2773397866 2807195304 3183120132 1893815846 2053743991 2701776533 2018148676 1582462984 2431880394 2783733792 2088921313 2235640576 3022374419 2372589227 2237177766 3567392244 3034177538 1998652430 2515423010 2904261548 2850361719 3288192541 2710014463 2483766959 2944465049 3224391910 2918315526 2628373987 2432670466 2504854242 2247503394 2476765464 1642102828 2728484266 2465451942 4057140365 2993018252 3005553733 3050754186 1791607895 3361754425 2655826082 2679828941 3012954672 2580145059 1962694211 2593527489 2702125430 3040858706 2281521735 2216441065 2932609531 1802155440 3021818757 3984033973 2587658817 2447157507 2695195016 3109413124 2940505854 Creatine 3211115491 1209226316 3486960520 1714768571 3940691069 6851845780 2226176663 1207916117 1004810337 2231372930 2887058960 3050057895 875821558.2 2472993510 1358565786 1112490408 3238173867 2594478184 2105714634 2504761555 2514924906 4116938594 2098580863 1976288372 2305803867 1583023111 3459436842 2145952284 1812959847 3245071642 2834946442 1618133371 3924273066 1148947107 2830884981 2149894563 3862688594 2868438947 2629449804 2281093873 3710104312 2752470888 2091077448 4235864910 1588170862 1557077023 1042930469 2185617738 1885024080 1995152968 855819210.5 2427654557 2956270130 1950716872 2417849839 1425168906 5762042258 1379930519 1450980756 2394951294 2202603390 1523668314 1656640909 3489737047 2490755100 1754020236 958139978.1 3604813739 1931405763 744586162.6 901172561 Lysine 14828805982 13519556760 9625167079 13833789660 16920826792 10386267239 16946088392 11405369414 16007871196 12797723567 12670825000 14367802560 12951480363 13762627682 11420190636 10833793826 13559081333 13527152837 8998164706 12398547426 14240704005 11637855991 10522148921 9165908576 15038286602 14626561665 13861276316 11100356218 12532784015 11741208085 13879142072 15363042634 12740467265 10632388154 13004649687 9535066602 14718749072 10253090132 13672906536 13865397181 12233600417 11100724674 10546229510 11632206041 14723104312 8910325890 11454228385 10455093702 13852767928 12519404262 12705574868 9311136856 12592419697 11838234729 14048023631 11155050066 8437021274 13475362987 14621421764 11659783765 14371798006 8531835741 8934908798 10800109197 11313863658 11860067208 11305641402 8487472380 9184060125 12798332382 12212601829 Glutamine 8984386503 6941286791 5035683540 7045397279 6976437233 8506574249 9044406771 9678110256 6741943786 11178512739 5548494364 10215949360 6549358485 7110525828 8143530012 6786379603 9234806933 8789578184 10943298278 8608432640 8362361952 8190591014 10085248921 9824212500 8263770994 7809355203 9974283241 7843496701 7544424808 9533340050 10270998876 5891595424 10640853453 11637773554 9354009011 10220399029 7961033687 8014663684 9465241046 9514306863 9079692211 8290976501 6557813015 8350177892 8718416434 10384132201 6006627734 7144096272 4825178654 8572856925 9317827763 6303495376 5919964502 7221468227 7688590440 7365116996 8935886252 5355844697 8290375372 6735091765 8160911964 6421421420 7665435337 7779132513 4963385346 5773603693 6292740745 7280288385 8343486449 8061395578 6439123049 Glycine 614173466.3 354111558.3 295300000 316589251.7 341361257.9 294212303.3 352939903.3 581495421.2 187749825.8 507185031.8 456151445.1 389462162.2 338754215.6 408082251.7 234807322.9 313955457.6 297037333.3 178550189.2 263396700.1 247594414 313365582 293649654.4 263228777 427976744.2 272422928.2 256205805 359163019.4 350962182.7 287677237.9 250655099.5 385831710.4 305112388.4 448491574.6 362587878.8 390118022.5 362085436.9 350877586.2 269862368.4 337940000 291842892.2 320958414.5 374712141 297473711.3 295901542.4 380008974.4 288438511.3 359478255.2 294450000 275300630.9 416107610.4 263035131.6 365463408.2 238051839.8 340628078.8 319482169.7 279531752.3 225107091.2 312489177.5 370845819 342844470.6 237685244.3 231299493 335557038.1 227273575.1 398500468.9 548572378.1 274783789.7 277113031.2 321445794.4 525235520.7 318631585.4 Cystathionine 18192944.79 53549226.01 94402103.96 11568435.37 44415345.91 115238197.4 12628415.96 47828021.98 53982694.54 7121178.344 61567774.57 29209815.08 26002454.64 15770198.68 41632653.06 28488092.61 11295733.33 22518158.89 31521377.33 22841621.03 10236420.53 25373156.68 21382733.81 19191715.12 18781077.35 9925082.147 11323961.22 9800380.711 18364705.88 14825870.65 10355805.24 16407142.86 28405662.98 11985812.67 14760325.41 14847378.64 13041644.56 13551710.53 12627712.42 11498406.86 17401251.74 40914751.96 101015463.9 56671079.69 11601515.15 17758090.61 31141927.08 21171079.69 43538906.41 12709741.25 29311315.79 18017701.45 28394588.74 15348768.47 13785499.46 36294598.16 32649348.77 35586796.54 35969530.36 29705529.41 30755832.5 39641191.38 33183577.71 43539637.31 293375498.2 13281093.06 28621248.63 40067847.03 23304984.42 12006704.71 20653536.59 Dimethylglycine 19031901.84 16344685.24 22935519.8 12960000 19948176.1 19983547.93 16459733.98 31550549.45 20517421.6 11107484.08 18090751.45 14645661.45 16174919.96 33208344.37 15975390.16 12479933.85 12920666.67 39065952.08 29655523.67 24084008.76 23366708.39 21093317.97 31398992.81 16897529.07 14584530.39 13284337.35 17939889.2 12007741.12 16470076.73 14683830.85 11123470.66 10175558.04 16703729.28 11518319.56 13169712.14 20649902.91 15957029.18 16829210.53 17638692.81 29117401.96 35359388.04 24446997.39 16640077.32 14060668.38 12892773.89 19507766.99 19315755.21 16240231.36 19827655.1 11687062.4 15301315.79 11751915.46 22397510.82 14021798.03 16612459.72 20031884.06 38227062.23 14629870.13 18289461.63 20792941.18 17044167.5 24195437.26 21628739 23106217.62 19098944.9 15798375.18 17551150.05 12197875.35 36533021.81 20212981.46 15698170.73 Cysteine 2095858.896 1518988.648 1500495.05 1145850.34 1246289.308 892989.9857 1047037.485 1552014.652 1378164.925 1068152.866 2369364.162 1138122.333 1651547.492 1744768.212 1050540.216 737816.9791 1376666.667 985876.4187 1593543.759 890580.5038 1852190.238 1230529.954 860863.3094 776889.5349 1207596.685 1537020.811 1294321.33 1255964.467 1370588.235 1196766.169 1667415.73 1357366.071 1283287.293 919972.4518 1100000 1740194.175 1085278.515 997105.2632 1273856.209 926715.6863 1073296.245 818146.2141 1084407.216 1761825.193 1013752.914 829935.2751 1503125 1626478.149 1260462.671 1464535.769 1595394.737 1073844.122 1598701.299 1258251.232 799570.3545 1867720.685 1392474.674 888311.6883 1235395.189 665294.1176 720438.6839 1316983.523 869354.8387 807512.9534 1032356.389 1267355.982 760569.5509 913881.0198 1209190.031 1203566.334 757804.878 Threonine 2171675920 2725957172 2365603218 2097904762 3062032830 2052403004 2144839178 1766494139 1634749361 1753886783 3717823699 1207359459 2450201174 1788546225 1782630972 1423115105 2665146667 1855197856 2144547059 1597064294 1782170338 1815516820 1544138993 1484038953 1945794337 2231313582 2034335319 1641665990 1864699105 1822730970 2914570787 2532963281 1712869890 1603848347 2373598123 1742221165 2143164987 1238730921 1859198431 1943416667 1516649096 1722106527 1380145103 1865535476 1985946154 1169561650 1463439453 1590135604 1818530915 1862762253 2034031711 1416422193 1523795671 1504865025 1716873684 1247032279 1184074819 1755136472 1713584880 1466409647 1522302592 1135475792 1424144135 1095676295 1382690973 1350804874 1463733078 1224056799 1261224766 1568306705 1376865000 Citrulline 18092638.04 19052425.18 70706806.93 25638775.51 56247798.74 41563948.5 19642684.4 26243956.04 39724506.39 43839968.15 38050433.53 38709672.83 47074813.23 17111258.28 57259183.67 32582359.43 27819733.33 43461538.46 31525251.08 31614567.36 22654943.68 24098847.93 32847338.13 46598837.21 21176657.46 33702628.7 29686288.09 29133375.63 35326470.59 26470895.52 30934332.08 21652678.57 29370303.87 51199035.81 41301877.35 29427961.17 18481432.36 30090657.89 20747320.26 40143627.45 27376495.13 43133681.46 31711855.67 40574035.99 24514452.21 19717961.17 21528125 41872879.18 6922818.086 26503044.14 58510526.32 24013077.94 19320562.77 17889039.41 20717508.06 17931488.8 43461505.07 11872943.72 18326804.12 32409529.41 15334795.61 15769074.78 18967888.56 56094948.19 11620984.76 15496011.82 31711610.08 25223937.68 54192056.07 15334950.07 17755731.71 L-Met (IS) 2458729601 1642074407 1953708045 2026615646 1807421258 2245087411 1766248126 2863387363 1727490360 2374062580 2144908815 2158498578 1552936926 1968118675 1866138896 1722308710 1967086133 1903226986 2255284792 1738613034 1863131039 1687733065 2302337698 2199908285 2031157320 1640092552 2146478255 1887461294 1937382097 1963544279 1902683770 1716618080 2115951243 2164832231 1927124906 3371379029 1962898674 2086255395 2007724967 1778721078 1971518915 1941365405 2017717912 1963119666 1672965152 2638379935 2032099089 1983239332 1487946477 2382404262 1984010921 1965343461 1690210173 1874785714 1678419334 2054481555 2457055861 1754760606 1775424399 1932641059 1541478664 1976914702 2249966276 1893562435 1835945135 2225863516 1694811172 1983610482 2452361059 2276338231 1838015610 Proline 7197513037 9905340248 10295238738 8072183129 10953305535 11695844635 8499950786 6148415201 7639574913 7286448885 7120045954 7941385917 11376819210 7563070199 14305912005 13298064278 10732274933 9042339596 12168104161 9953857503 7377361452 13078950922 8052797698 8342582122 6977700000 9269866813 6634466482 7330141371 11174409463 8215989428 9811626467 6691185603 6067175829 9474443802 9839589237 6922576311 7325954775 8592161579 8013033464 9122245466 12439874131 8643383812 7715916366 8067578663 6145066434 4613652265 7402830729 8881374422 6182384648 7301000152 9088908947 7952693263 5632574242 7829637685 8732197637 8096100527 10554733864 6965248593 8308216380 5824947176 6407952443 7546329531 5460130205 7644686140 5868800234 6738049926 5212398795 8030416856 9846077414 6130230813 5210350122 Carnosine 66245245.4 51332301.34 51712747.52 42174421.77 27255723.27 41997711.02 64948730.35 31346153.85 28237630.66 88427388.54 24549277.46 98303413.94 46634791.89 175655364.2 42813685.47 44609481.81 88662266.67 66373896.6 22635581.06 65267469.88 64488485.61 21768663.59 29178848.92 68437936.05 86103591.16 80821577.22 21674376.73 88754695.43 13302429.67 32487562.19 64626966.29 170231919.6 33899447.51 49097658.4 74868085.11 38090291.26 63766976.13 38257763.16 20732287.58 42471691.18 23424478.44 18942950.39 25586855.67 24485218.51 16798018.65 25541909.39 15878645.83 103376606.7 10541955.84 9847640.791 50045394.74 155635931.3 22938203.46 56844581.28 36480128.89 12140316.21 66363386.4 17226948.05 8250973.654 32314588.24 18608075.77 27076932.83 13062023.46 69975000 16346189.92 44472230.43 20881927.71 18893909.35 37106386.29 15169472.18 29365975.61 2-Aminobutyric acid 25432055.21 131315686.3 69795420.79 88336734.69 68713836.48 70661659.51 76427448.61 71020329.67 82928223 47905095.54 38683526.01 54121479.37 75800747.07 49241059.6 92569387.76 21203307.61 1510000 92252080.71 73473601.15 81361117.2 98913141.43 72322926.27 62890503.6 65439389.53 58157872.93 45975794.09 31777285.32 60371954.31 55344373.4 120712437.8 67782771.54 71262723.21 112409116 52763223.14 88166332.92 69164271.84 83687798.41 84285394.74 60381045.75 80706862.75 56708901.25 103556788.5 133609793.8 69416838.05 86034265.73 79894336.57 59323046.88 1511182.519 58715878.02 47970015.22 40561184.21 34645178.34 71018722.94 74581527.09 82224919.44 58187483.53 58456874.1 125275865.8 229782.3597 79652705.88 141605782.7 107022433.5 133931085 39607383.42 123750879.2 42380502.22 81695618.84 85800566.57 55787227.41 29558487.87 74667926.83 Choline 1771466411 1338474200 1118490470 1832421361 1278622138 990228183.1 1073352116 2486969048 1833140883 1426435032 1772860549 1447409673 1362299146 1636330728 1570044778 1340363947 833918000 812047288.8 740986226.7 857809310 749960325.4 820604147.5 1232732086 1985757558 859518370.2 993040963.9 1325938089 1849818909 859704475.7 836372388.1 1239343446 1060487723 844434944.8 968764876 1140064080 1522791845 703538063.7 835572631.6 696447712.4 1027698775 962528790 818726631.9 810026417.5 1040260668 803458508.2 772056957.9 1468301042 1032354370 1102903260 909956925.4 1097344211 1137666579 696897727.3 921750123.2 1014000967 946046376.8 1116645152 1084136039 959909851.1 835897411.8 666328514.5 791566920.2 865820088 807758160.6 663947127.8 906982865.6 1079372399 954363031.2 862948909.7 768515263.9 1148545488 Valine 6467953988 7238601858 7056375495 7744652381 8079534591 7821460086 7772703748 4944721978 7038095006 6997536465 5846364162 7077728307 7677095197 7161974040 6897704802 8185922602 6820475333 9399672005 5979356958 7763098905 7404220651 6843942972 8580699568 5547725436 6306688674 8449686090 7550415097 6088168655 7528072890 8148764801 7596689513 8570136830 8357966298 6831457025 7537459199 9116198252 7703414854 8077675921 8159963268 7204739828 6697715577 7436184204 10413768299 6504734704 8242947086 8721634951 8940441536 7717898972 6951434490 7366341857 8295260395 7024402378 7436201299 7847808005 8225500107 9470129644 6624925181 8165764935 7073332532 10350010706 8529597607 9079289227 9723515249 7158022668 11512124502 8441840620 9356473384 8734388952 1502492.212 7070624108 8951449024 Argininosuccinic acid 690337.4233 7995872.033 200000 4834693.878 4368176.101 7438340.486 7427448.609 26994505.49 11126596.98 5367993.631 4127167.63 5194736.842 15889327.64 7499602.649 160504.2017 15057662.62 6711600 7699243.38 6643615.495 12965279.3 137171.4643 209792.6267 9538417.266 9235029.07 9660773.481 3354764.513 6183240.997 10465736.04 5888107.417 9815671.642 7647440.699 8221986.607 7861878.453 6169421.488 6470963.705 5133786.408 7240583.554 8127763.158 5795294.118 7768504.902 5921974.965 442689.295 7772551.546 378920.3085 7698018.648 7031553.398 6828515.625 9989460.154 11037223.97 6089193.303 9494868.421 7429062.087 4897510.823 3734852.217 6984103.115 4716469.038 12397250.36 5015043.29 5003321.879 196588.2353 6882253.24 8707477.82 4027126.1 11385233.16 3705744.431 6164697.194 10798904.71 6154957.507 7441433.022 8815263.909 11206585.37 Histidine 4172329601 5550210526 5187443441 5674337959 5204298742 4722679399 4641038936 5552349451 5302748200 4227678981 6112763150 4195704267 5089405336 6197526093 3930891957 3888356450 7396471333 5402948550 5027597561 5565324425 6228620275 5039457834 5398689784 5827072384 4473905801 5751421906 7040854155 7154592640 5892410230 5356148259 5206497378 6636469754 6488053315 6167981680 5771139174 6367202330 6506189788 5149713289 5449295556 5652530637 5498468428 4109699478 2888762629 4775837918 5161983450 5276177508 5398082552 4979807455 5957025762 5457140639 5611082105 6110029326 4885830736 5803906650 4969313749 4019282740 4988023734 5835811580 5509397480 5457717882 4618303190 5158951077 5039018475 5448868394 4756986166 4030026588 5406879628 3903985552 5030298754 6011267903 5919125000 Symmetric dimethylarginine 129208128.8 205222084.6 475216831.7 171308571.4 310631320.8 564597281.8 121342079.8 602440842.5 293970034.8 163997770.7 202294508.7 327549502.1 203177161.2 133589668.9 288370348.1 184058875.4 144834533.3 186544766.7 160461262.6 141480065.7 182012015 139451382.5 166253669.1 199157703.5 208166989 129870865.3 131726315.8 200705203 139134143.2 122140671.6 142035330.8 151331919.6 185368370.2 174272727.3 200683229 144815145.6 136020159.2 206931184.2 157358431.4 160478553.9 129303198.9 381719190.6 209366108.2 799857069.4 167978088.6 261552589 236283984.4 155545372.8 229980757.1 117645662.1 235566315.8 210662747.7 173055303 145424137.9 152939527.4 145590645.6 482685094.1 222824242.4 176338258.9 172598352.9 247608574.3 204792395.4 207218915 380999352.3 158679484.2 147355982.3 437976122.7 152645325.8 250465264.8 193163480.7 195282682.9 Uridine 262099693.3 130586687.3 150449009.9 135274285.7 83281761.01 99256080.11 128281499.4 166798901.1 196112659.7 174889331.2 169191329.5 159135277.4 153753041.6 217832715.2 118445138.1 85001764.06 130184933.3 234904539.7 105697847.9 147167031.8 178666958.7 112572811.1 437208777 188243459.3 136401933.7 223358050.4 204292659.3 134069670.1 148887468 125320522.4 200139950.1 155306138.4 140757044.2 132236639.1 169409261.6 96493592.23 163268169.8 140757368.4 123572679.7 153218382.4 140594993 90937206.27 78700257.73 131279305.9 139085314.7 186753559.9 115553255.2 105234575.8 120460567.8 123917960.4 211949078.9 109782430.6 86530844.16 127519950.7 146159398.5 90847694.33 133847901.6 79674458.87 93295647.19 129679176.5 87034795.61 164214955.6 177071554.3 93123056.99 95977256.74 213851403.2 138994195 101758215.3 140616510.9 120790299.6 78333902.44 S-Adenosylmethionine 0 549122.807 377351.4851 0 117861.6352 1559084.406 603869.4075 471978.022 0 296337.5796 343641.6185 0 0 0 1316566.627 523704.5204 128800 1092055.485 667288.3788 225082.1468 203629.5369 106221.1982 0 0 62016.57459 0 0 0 413810.7417 470024.8756 0 0 31906.07735 180716.2534 268585.7322 44077.6699 0 188289.4737 90980.39216 524877.451 96940.19471 1324934.726 1986984.536 122236.5039 634731.9347 255501.6181 133723.9583 706169.6658 865404.837 0 0 0 536580.0866 0 0 70092.22661 682489.1462 0 0 222705.8824 43270.18943 728643.853 0 215414.5078 0 343426.8833 309419.4962 136685.5524 436292.8349 137517.8317 110000 Creatinine 1438559049 1278201342 2608862252 1358154694 1412947925 2146926609 1294402539 3380229304 2130227062 1572668631 1460525145 4751209.104 7509178.228 5927019.868 4542737.095 1928439912 1713948533 1156746.532 1799757676 1556306134 1770687109 1210701382 2103613381 2282185174 2520449309 1743367251 1465375346 2510289721 3435677.749 1692080224 1441377403 285937.5 1725068923 2935491322 1820585106 2049380194 1555665252 1678829342 1961035948 2074832108 1667883866 2156505091 2054257474 2976578406 2022700583 2580026861 1618808594 2033746401 2154261514 1901309589 2731938289 2688602114 2261194697 2079278079 12695059.08 4528063.241 1661918090 1987018615 1606086025 1655218000 1609997009 3270104436 1790869795 4078980440 1291941735 1406177991 2785284447 1843939943 3416355.14 8671611.983 2255503049 Carnitine 2788736963 3912152322 5305970421 4488531837 2718121384 3617153791 3726287666 4388911538 6953351568 598726.1146 4741768353 3681405974 3862460832 2984067947 4324396279 3560791951 2694772533 3730253846 3695838307 3601011062 3627569587 3611606336 4495027482 4298908430 4153175414 3878166703 3622545152 4850637437 3595391688 4644125000 3887170162 3934015737 4363258011 3695149036 3548364080 3909368155 3115985279 4422177237 3252692157 3897830025 4527054242 3710530157 4123858634 6160373393 3482568765 4025043528 2815701432 4164204370 5353186540 3613326332 4597005395 4581820079 5777768398 4505240025 4030258002 3913101186 6471038784 4741632251 4733382360 3636148706 4863586441 5302934094 4266373607 4963059715 3732067761 3282101182 3346753450 4580244051 4193768069 3299330813 3574944268 Arginine 6267690031 6265874613 3805907673 3537945714 2610373585 4206123605 5338983555 5024547802 4420045064 6588230096 4729104913 4056800853 4079643757 5068869669 6013264826 4740385998 5457320800 4381759142 4097401722 5053671303 4864633292 5570988940 4077431079 3852393605 4425151796 4159555093 5359575762 4390654442 4504043862 5159099502 5109544320 5932140179 5105659254 5506388292 4018954944 4551871650 6469935013 4967941842 5954013203 4283162990 4835122253 4919139948 6302370876 2922947943 6277658625 4501914078 4694261198 5849950386 2774061514 5567641400 4518595395 3771073580 4695265476 4137997660 4235708271 5898920685 3119383647 5171144264 5523280527 4755611176 5150698704 3683766540 4210992522 5762919689 5835257210 5835210044 3959390581 4684288244 4742428037 5356219401 4686949512 Asymmetric dimethylarginine 46800153.37 61161093.91 59183663.37 46220000 86080377.36 53135908.44 37050906.89 73902564.1 50260743.32 44763375.8 69437861.27 65827453.77 46878121.66 38165960.26 58129531.81 53027232.64 43034933.33 44033543.51 38086226.69 38004709.75 46507133.92 46327649.77 36924316.55 48909302.33 55486325.97 31773932.09 54161218.84 39242005.08 33782352.94 39399004.98 48319850.19 31327008.93 37688674.03 41873002.75 52576971.21 29607572.82 38228116.71 47151184.21 32724836.6 49110294.12 43965090.4 65888381.2 55466881.44 70758611.83 40426923.08 37201618.12 46547005.21 41096658.1 30798002.1 39769406.39 37606052.63 40650858.65 41608116.88 32635591.13 40612567.13 40568642.95 61071056.44 35062229.44 41407445.59 38440470.59 44569591.23 33353485.42 33411290.32 37325129.53 33570926.14 42379172.82 34920591.46 35417847.03 41765264.8 29417689.02 31211097.56 4-Aminobutyric acid (GABA) 8659049.08 2107533.54 3216707.921 3293741.497 2680377.358 2974105.866 2481257.557 3739194.139 2862485.482 2116878.981 3429335.26 790469.4168 3869477.054 3854172.185 3677310.924 471334.0684 3599200 385119.7982 4601434.72 1978751.369 3836045.056 2513479.263 5731079.137 4067441.86 3416712.707 3241182.913 2861772.853 4783502.538 4244501.279 1988432.836 1990262.172 3259263.393 2527624.309 3670936.639 3331664.581 3892233.01 2860742.706 4619868.421 311111.1111 3180269.608 2292350.487 1839686.684 1432345.361 3602442.159 2994172.494 2928317.152 1484505.208 592673.5219 4655415.352 3518569.254 3794210.526 3103698.811 3039393.939 881527.0936 4118152.524 4665349.144 3720260.492 2799350.649 2325429.553 1544823.529 3236789.631 6616730.038 1561290.323 2511528.497 1526729.191 819202.3634 4509748.083 1763881.02 2581464.174 4758773.181 4516341.463 Thymine 386349.6933 436016.5119 1329826.733 827755.102 1269433.962 689842.6323 310399.0326 715201.4652 1445644.599 0 1180202.312 1142816.501 770330.8431 861589.404 1093397.359 830319.7354 0 1081210.593 577187.9484 949726.1774 933291.6145 367972.3502 647482.0144 1072529.07 1464779.006 957393.2092 1193351.801 1966116.751 283120.2046 730845.7711 989388.2647 709151.7857 167403.3149 676721.7631 201001.2516 549320.3883 481697.6127 818157.8947 459477.1242 1884191.176 376773.2962 848694.517 728221.6495 298071.9794 963752.9138 422330.0971 760677.0833 665424.1645 163827.5499 942770.1674 480657.8947 107397.6222 44588.74459 528078.8177 766702.4705 256916.996 395947.9016 790584.4156 343642.6117 610235.2941 841674.9751 350316.8568 1159970.674 1995984.456 847948.4174 620384.0473 401423.8773 0 1033333.333 422824.5364 654024.3902 Methionine 516080214.7 622595459.2 694276608.9 473843129.3 435109182.4 299143347.6 519133494.6 558082051.3 483768525 373916082.8 629116329.5 500527311.5 570860085.4 588556158.9 296638.6555 353484454.2 482028266.7 3078562.421 713580774.7 568146988 512238923.7 455588364.1 4378273.381 453838226.7 476051243.1 722618400.9 444413434.9 524643781.7 539046803.1 509103358.2 614966042.4 607116071.4 506355110.5 417043939.4 593062828.5 413820970.9 460163130 405896184.2 576044575.2 527091421.6 422714186.4 559968146.2 411885824.7 378911568.1 601112004.7 441183495.1 516878255.2 376472750.6 733283596.2 408223287.7 544656578.9 353224306.5 545129.8701 510885591.1 552926208.4 470489328.1 488716932 821194372.3 788490148.9 470393529.4 724986041.9 3826489.227 419099266.9 322081865.3 215123.095 399561004.4 606708214.7 491359.7734 373989252.3 525462196.9 488537317.1 Inosine 84790337.42 9905469.556 3863613.861 51341360.54 779496.8553 9505293.276 134960096.7 102580036.6 35132984.9 18572770.7 413071531.8 4004836.415 83896478.12 3334437.086 109741536.6 24538699.01 157998533.3 50975535.94 611764849.4 12146659.36 17264205.26 88751728.11 17322877.7 391328633.7 8422099.448 44776122.67 114462880.9 121443908.6 0 568982960.2 13400873.91 3485714.286 22080248.62 9638016.529 3412765.957 198048543.7 39062997.35 4336578.947 210137777.8 49619240.2 477809735.7 4346475.196 27775128.87 54810154.24 14437878.79 79465533.98 1486197.917 92012724.94 197939747.6 11498630.14 187263947.4 57700792.6 7019155.844 3052339.901 33024704.62 7948221.344 202320260.5 2652489.177 1423367.698 2096000 4328115.653 347587832.7 10493401.76 62884326.42 1537983.587 6117725.258 2352354.874 8921246.459 21724454.83 1646504.993 395949390.2 Dopa 2930674.847 1275438.596 2154950.495 1611972.789 2874339.623 1636766.81 3520435.308 8280586.081 3578281.069 816242.0382 2968641.618 2784637.269 2068729.989 4495761.589 879111.6447 932304.2999 3746666.667 1094577.554 2024677.188 3473493.976 2151814.768 1097350.23 2899136.691 2147238.372 1134944.751 1322891.566 760803.3241 3584517.766 2010869.565 1753109.453 1353682.896 668415.1786 280801.105 2083608.815 625406.7584 699611.6505 1708488.064 2118552.632 1667058.824 1553308.824 2280667.594 2700000 1704768.041 2480848.329 3234382.284 2334789.644 9982291.667 1901542.416 2275814.932 2173211.568 4261184.211 1560501.982 1665367.965 2445566.502 2036197.637 1276021.08 5121562.952 1086796.537 646277.205 3462000 2621834.497 2832826.362 2155718.475 1431735.751 2421453.693 1294534.712 1630010.953 5697733.711 1687538.941 2370756.063 3543414.634 Cytidine 18339417.18 6594427.245 47097896.04 5405034.014 14614213.84 42537482.12 8408948.005 38015567.77 12738792.1 14005414.01 32405491.33 15392745.38 20815901.81 6018013.245 20658703.48 9708379.272 7854800 7973139.975 4884361.549 5831653.888 6787984.981 8203686.636 8704748.201 9572819.767 12375828.73 7531872.946 8122437.673 12309390.86 5073145.78 8951990.05 6996504.37 6956361.607 7017265.193 9714600.551 6842428.035 3991456.311 13298541.11 17548684.21 5401699.346 9804901.961 5855354.659 33594255.87 8896134.021 33160539.85 7643473.193 14307928.8 9397005.208 4984061.697 20496950.58 8671080.67 16446184.21 10695244.39 18446212.12 8899876.847 9462728.249 6822134.387 37736903.04 23898376.62 10175945.02 11979176.47 16607477.57 17653612.17 13213489.74 21427072.54 7094255.569 17992466.77 11631106.24 7843626.062 11977414.33 8796005.706 9156951.22 Isoleucine 2030550153 1342799071 1530123391 1371350748 1185780377 1567028326 1637906651 1107031868 1339171777 1502592357 1154095231 1691859886 1770099680 1682020265 1997062065 2336019515 1171970000 1776258764 1426332712 1763162322 1440179975 1727568203 1269835396 1353322238 1492676105 1560226396 1254673407 1564529442 1698334527 1988805224 1378920474 1841812500 1668485635 1495283609 1445078723 1362862913 1198184615 1693552632 1642210196 1717252819 1282151739 1673138642 2644384536 1160262725 1812132984 1808893366 1947285938 1560869923 1271656782 1271045053 1416120263 1459362616 1386920238 1298264532 1710388507 1970035178 1311436903 1582880087 1354453608 2205677882 1754447159 1849138403 2135855132 1377840674 2479958030 1377440473 1940183790 1744742493 1667981620 1207860485 2066346098 Leucine 1734265337 2254362951 1947456064 2149331293 2010988428 2102916738 2150079323 1339002015 1785046922 1966397452 1680648988 1867524467 2218245571 2301336689 1924739256 2323812900 1705808267 2494154224 1644524821 2335208762 2344152566 1963206336 1962218561 1707143895 1903164365 2251879299 1775959003 1852792005 2134670588 2082396393 1803979526 2482409152 2306329420 2068180854 2081437547 1986692427 1979231698 2313184474 2223928497 2315696324 1777345897 2211403003 2945089046 1711284704 2643394872 2488330744 2729847396 2185297815 2068672660 1917424962 2015879474 2173437781 2244956385 2085053695 2425930183 2663826087 1622211722 2405689827 2126447423 3088498706 2450621436 2800422307 3146692962 2084838342 3570260141 2733237223 3023405257 2628387677 2723301713 2191928959 2856372439 Adenylsuccinic acid 1304294.479 680908.1527 664975.2475 114965.9864 0 0 613180.1693 1169047.619 424390.2439 1117356.688 494364.1618 841820.7681 1086766.275 1278410.596 506242.497 770011.0254 526800 799873.8966 154088.9527 1316429.354 907634.5432 873502.3041 85755.39568 1083720.93 1017127.072 1744578.313 978254.8476 1813324.873 944629.156 1601243.781 1432334.582 684933.0357 1314364.641 999311.2948 1668210.263 1168737.864 1654774.536 398157.8947 1877385.621 807843.1373 944367.1766 2821148.825 2398067.01 3443573.265 1665034.965 3006310.68 2941406.25 4480334.19 1057939.012 1899086.758 1926184.211 2021003.963 1604112.554 779926.1084 1402255.639 2868379.447 8276989.87 3191883.117 3917182.131 5556117.647 3759322.034 3950697.085 6190175.953 3302331.606 2649706.917 5266469.719 2751588.171 2834985.836 3196417.445 3439372.325 2774756.098 Guanosine 15078680.98 5296697.626 7174504.95 10186938.78 4567547.17 8741773.963 18556227.33 24022527.47 12776190.48 9664808.917 36777745.66 13787197.72 10176200.64 4759205.298 24504921.97 13646416.76 22564133.33 18041866.33 84221233.86 8209529.025 16611013.77 15610599.08 14968920.86 43047238.37 9566574.586 21251040.53 16941689.75 22964593.91 3260485.934 159362935.3 4627091.136 4328794.643 8362707.182 5533884.298 4032790.989 30019223.3 12678116.71 4390394.737 14203660.13 12233578.43 41563977.75 6945691.906 11524742.27 24950642.67 11508275.06 24140453.07 5872135.417 13164138.82 27891167.19 3926636.225 30153157.89 20327741.08 7643831.169 6280911.33 19025563.91 4850065.876 47831837.92 4495887.446 3753608.247 3422117.647 9417248.255 83292268.69 8792228.739 24675518.13 4065181.712 7645494.83 8575575.027 7526770.538 5869314.642 3453922.967 16227804.88 S-Adenosylhomocysteine 4882822.086 7269659.443 22544306.93 6427619.048 11847924.53 33611158.8 4344860.943 14079670.33 11118234.61 8940605.096 16016184.97 13738833.57 13901280.68 8034437.086 12062064.83 9006725.469 5245866.667 5392812.106 3377761.836 8504052.574 4630913.642 5837096.774 6931942.446 8901744.186 9177762.431 5730777.656 6287396.122 8634010.152 4677237.852 3146766.169 6914357.054 7681808.036 6416712.707 7133195.592 6935043.805 2374563.107 5166710.875 6684342.105 3422483.66 6629289.216 3781084.84 10659268.93 9826932.99 23044087.4 7389277.389 8801456.311 10786067.71 5953213.368 14838275.5 5785692.542 9163684.211 5912285.337 10469696.97 6532512.315 7436949.517 8018840.58 4235311.143 6204437.229 7328865.979 9690117.647 11936989.03 12613054.5 12992375.37 13507642.49 5686400.938 11342392.91 17229791.89 8516572.238 8619937.695 8768045.649 10845853.66 Kynurenine 150984662.6 52928689.37 152817203 100442993.2 137398616.4 226246781.1 80546070.13 149843040.3 109924158 102105095.5 128986849.7 68900142.25 176393276.4 94791125.83 318002280.9 265778390.3 89860400 141266834.8 127164562.4 95356955.09 114842803.5 108571198.2 89220719.42 106117296.5 117950690.6 94842716.32 105603739.6 164954060.9 110614322.3 90642288.56 79767041.2 93513169.64 124866022.1 174230027.5 143777972.5 150480776.7 87936604.77 226806578.9 134456862.7 200507598 121300695.4 156432506.5 160600773.2 235100771.2 175399300.7 241494174.8 200997916.7 184446529.6 334122607.8 106434094.4 151481973.7 258867503.3 177530844.2 127415886.7 193738560.7 158787088.3 226286541.2 427341666.7 241993699.9 216382352.9 145875174.5 269439797.2 214001319.6 215320854.9 191721688.2 157147710.5 338009857.6 331687393.8 240678504.7 223071897.3 289559390.2 Thymidine 557668.7117 633642.9309 164603.9604 73741.4966 174339.6226 526895.5651 406408.7062 741758.2418 266434.3786 343949.0446 71387.28324 607965.8606 618996.7983 324900.6623 392196.8788 368908.4895 1023333.333 348423.7074 907173.6011 218400.8762 279724.6558 610829.4931 511654.6763 820058.1395 985082.8729 594742.6068 382132.964 188451.7766 382608.6957 204850.7463 995380.774 467187.5 358287.2928 534573.0028 388360.4506 191067.9612 409283.8196 606578.9474 97385.62092 459681.3725 604311.5438 473498.6945 150515.4639 367095.1157 124475.5245 866990.2913 1305338.542 32776.34961 165930.5994 443531.2024 511578.9474 1041875.826 485497.8355 1293472.906 803974.2213 740579.7101 808248.9146 257575.7576 946048.11 1302117.647 77367.89631 136882.1293 711876.8328 487176.1658 536928.4877 685967.5037 233625.4107 597025.4958 822118.3801 513837.3752 580121.9512 Pantothenic acid 8374539.877 7943034.056 54904207.92 13516190.48 13336100.63 26680972.82 10709189.84 29578571.43 17403484.32 13840605.1 15078323.7 10014793.74 14713020.28 11554701.99 11128811.52 15960308.71 27807466.67 16350063.05 5289526.542 10230449.07 11032165.21 8867511.521 32133237.41 15167296.51 22695580.11 9981489.595 4528808.864 14900380.71 15562531.97 4590671.642 7392634.207 9985602.679 7622651.934 12605647.38 15548811.01 3576310.68 6610610.08 11555526.32 9567450.98 12162622.55 6641029.207 12841122.72 11421649.48 48807712.08 15591608.39 15401941.75 16705078.13 13892930.59 39850157.73 17911111.11 14272236.84 14534346.1 19294155.84 11512931.03 11365843.18 13927272.73 32421707.67 392811039 49006758.3 18855882.35 88922731.8 9565779.468 6565835.777 13822150.26 19938100.82 13506942.39 25473932.09 40682152.97 14100000 91450927.25 13183048.78 Tyrosine 2648028374 3707901961 5095821906 4284211429 2685243648 2182649785 2930386094 3553310256 3901750871 2633108599 4275989306 2889072688 4580778442 3492852583 3090947299 3960308931 2630912800 3442743127 4044478049 3479940088 3335245682 3655547811 3585147338 3715238227 4344481492 4626861774 2738218421 3138805076 3948353453 4128079975 3098373908 2739626451 2641032459 2879547796 3068826783 3008720000 2677392440 3856964868 3429573856 3390316422 3145413352 3667721802 3729690722 2253661054 3467986364 3102357605 3572284505 3557472879 4535260252 3593073668 3275289868 3091479524 4327685065 3991028079 4369361010 3979385639 4122858321 4769382792 3386479496 3405714118 5134880857 3268199620 3830011877 2341128238 3619135873 3555577253 4106065060 3453499717 4294328972 3533269187 3378552317 Adenosine 78189110.43 9537874.097 16348391.09 12448979.59 12888679.25 19113447.78 9110640.871 14261904.76 10339256.68 12241401.27 11695520.23 19560455.19 8605976.521 8762913.907 9748979.592 7275633.958 13185866.67 14500882.72 14860258.25 9209748.083 16396996.25 9319009.217 11991942.45 14176744.19 10529834.25 17496604.6 14958587.26 12033883.25 11207416.88 19090920.4 11198002.5 10965848.21 11340331.49 12643801.65 14397246.56 11789126.21 11160079.58 11311052.63 8895032.68 12467769.61 13220723.23 9997650.131 14461211.34 18209383.03 15769347.32 17510679.61 12865625 12539074.55 10283070.45 12076712.33 17019342.11 12993262.88 12157359.31 12001108.37 10676584.32 14152437.42 13729667.15 10048051.95 12828751.43 8254000 9229611.167 12861343.47 12066715.54 13751943.01 8088393.904 19578138.85 13920700.99 14072521.25 11976012.46 12269900.14 10007560.98 Phenylalanine 13457398773 13785810320 13129135025 12634098095 11284042264 13954901860 11973429383 13264447253 12619831591 16283865446 12176068642 15201902418 14663504376 15867297351 11715188475 12892960419 9588573467 9516647667 9484520660 12119130778 13399098498 11984359677 12501328201 14277447238 11805636326 10087921030 11145360665 13809546954 12711260997 10507066045 8701333833 13636579464 12104700414 13997428237 11309242303 11740764660 12498887003 15801118553 11570479739 11661365686 10807615299 16393401175 14910099356 11106730206 13731917016 16710636246 17042232552 15223300900 15857854890 17144235616 10851379342 17915458388 16129383658 15469906773 13074685392 17166609486 10495770767 15617215909 16288596678 16455195765 13914288734 16632600760 18345262170 14662967876 17482325322 21138180798 16941889266 18397336119 20836890031 19614497004 17639077317 Acetylcarnitine 156628834.4 415347058.8 1222029455 300092925.2 272049434 703763519.3 200470616.7 1342691209 439259698 267761146.5 765495231.2 467141109.5 650904268.9 184166887.4 522663145.3 331146306.5 167179733.3 509607314 703040172.2 397752573.9 581264080.1 280947926.3 1263369784 662825436 416026519.3 289560679.1 191231717.5 527893147.2 279211892.6 759388930.3 228930461.9 273031361.6 471895856.4 405623002.8 195871464.3 450488155.3 605928382 574642105.3 214279085 428842769.6 338222948.5 369559007.8 797404639.2 1386860540 357997669 853936893.2 272878645.8 823582133.7 965188117.8 162403957.4 431184868.4 533537648.6 725860389.6 318705172.4 361123737.9 182777733.9 1115654269 323362229.4 305628980.5 904109294.1 494059621.1 1091987706 704661876.8 563977461.1 675769050.4 520590841.9 738646221.2 327230028.3 398534735.2 165087874.5 516959146.3 Cytosine 0 605469.5562 1475990.099 307210.8844 243018.8679 2111015.737 0 1702747.253 874564.4599 0 667196.5318 737126.6003 222518.6766 0 3244777.911 620837.9272 27866.66667 0 564275.4663 370865.2793 322277.8473 899539.1705 2089352.518 679069.7674 533563.5359 0 1611080.332 1522081.218 227621.4834 427860.6965 241822.7216 0 576104.9724 3760881.543 298873.592 233786.4078 829442.9708 2590131.579 633464.0523 1301348.039 956606.3978 292558.7467 4331056.701 2795501.285 1101515.152 2530906.149 189843.75 1614524.422 929758.1493 1662252.664 1246184.211 3285072.655 1511038.961 1383620.69 586788.3996 870223.9789 183357.453 372510.8225 895074.4559 716941.1765 609770.6879 746261.09 424193.5484 5546113.99 1022508.792 132644.0177 2192661.555 784560.9065 2530373.832 2225677.603 2301585.366 Hypoxanthine 539971319 170495872 188083787.1 251004898 208178113.2 261137339.1 344648730.4 149037545.8 227834727.1 365809394.9 362199566.5 199555476.5 242313340.4 217236688.7 143193277.3 177720176.4 282916400 177393190.4 431243902.4 194349507.1 210744305.4 274069124.4 277437985.6 399265552.3 254659116 280446988 330942936.3 518852157.4 443094.6292 300679353.2 377857303.4 281945758.9 158393508.3 207090633.6 228453191.5 377990097.1 491240716.2 234375526.3 381427320.3 187245710.8 347779972.2 77477023.5 102249226.8 299433804.6 202020512.8 208829126.2 121632421.9 260514138.8 254527760.3 250459360.7 456724078.9 391963276.1 146494480.5 184010837.4 295289903.3 193222002.6 367679450.1 57271753.25 4026460.481 153435529.4 129740079.8 172286438.5 244312023.5 289307772 61427901.52 310788774 52030449.07 156330594.9 146638629.3 6252781.74 284372682.9 Uracil 37016871.17 18291744.07 19972772.28 18974421.77 10379874.21 13088555.08 19135792.02 23534981.68 27769105.69 27424681.53 23702023.12 21555049.79 20856563.5 28649271.52 14996878.75 11327453.14 17952266.67 30006683.48 15389239.6 22721686.75 26106508.14 16477995.39 66635827.34 26307122.09 18017817.68 30333515.88 28777285.32 17676015.23 20545524.3 18401865.67 29215855.18 24902008.93 19385635.36 22011294.77 23482978.72 15421747.57 23036604.77 20599473.68 17811241.83 22729044.12 21217246.18 13786161.88 12164561.86 17947814.91 21389860.14 25144660.19 17561848.96 17308483.29 16508412.2 17252359.21 30118815.79 15222060.77 12318181.82 19566995.07 21814822.77 12233465.09 24032706.22 12102164.5 14112714.78 18993058.82 16330009.97 24889353.61 27866275.66 12899093.26 13430597.89 30692319.05 20731544.36 15321671.39 19985981.31 16455206.85 9309878.049 Adenine 3610276.074 1464189.886 4333168.317 1212380.952 2744402.516 10635050.07 2909673.519 2417765.568 2076190.476 1019745.223 2799855.491 2246372.688 1423052.295 1112317.881 2727130.852 1119625.138 1150800 1346027.743 1784361.549 751807.2289 689987.4844 2156912.442 1604892.086 541424.4186 1951104.972 781380.0657 716897.5069 765736.0406 498976.9821 1303358.209 944319.6005 1235267.857 1773618.785 2173415.978 248685.8573 1312621.359 5046816.976 885394.7368 1208366.013 1851838.235 1131293.463 3745430.809 3759149.485 1291516.71 3102913.753 2557443.366 2045312.5 1220951.157 4025972.66 2106240.487 861052.6316 1525627.477 1462770.563 415270.936 1785284.64 3001844.532 8408683.068 1521969.697 1608361.97 2779882.353 2744865.404 3449556.401 2076832.845 2654533.679 964595.5451 912703.1019 1376232.202 608923.5127 1512616.822 1484165.478 3487682.927 Alanine 96205214.72 119649948.4 68662871.29 106234421.8 92824779.87 44737768.24 102867231 88896153.85 112489779.3 84293152.87 69247109.83 83729302.99 86014300.96 119596158.9 56955582.23 85620396.91 117360266.7 58581967.21 68817503.59 88192990.14 90061702.13 98788133.64 82628920.86 84446802.33 90650828.73 90651150.05 76107063.71 80503553.3 111148081.8 57595273.63 91084893.88 91589955.36 68184254.14 87139531.68 84710387.98 90560000 82540318.3 90906578.95 110433202.6 61683700.98 101009735.7 63245169.71 62269329.9 61907712.08 63320629.37 101029126.2 95081380.21 73321208.23 139055730.8 84247793 86262631.58 85426684.28 70944588.74 117905911.3 73182706.77 78505928.85 48642691.75 99170887.45 89035967.93 56407411.76 64570289.13 78283143.22 71397360.7 70075129.53 80516295.43 75626587.89 127465169.8 99428328.61 88971806.85 124983309.6 114321707.3 Biotin B7 1858282.209 9948194.014 255074.2574 2072108.844 1463899.371 2791702.432 3786457.074 251612637.4 1494541.231 28954458.6 22089450.87 620910.3841 1668943.436 14451390.73 0 0 0 1588398.487 2959253.945 1959364.732 1413892.365 565783.4101 2845611.511 3276162.791 1148756.906 2346111.72 1841412.742 2956598.985 1171355.499 1277860.697 3441448.19 2551227.679 3357182.32 4376859.504 3307133.917 3892233.01 1696551.724 1908815.789 1961176.471 2955514.706 2988178.025 2552088.773 42893556.7 2944730.077 5100466.2 6806634.304 15537109.38 2282519.28 2806203.996 4231811.263 2345526.316 3593791.281 2920021.645 2187315.271 1549301.826 2628458.498 82524891.46 2301731.602 5506529.21 13477764.71 4723728.814 3387325.729 3078445.748 2198963.731 32362250.88 1594387.001 2592771.084 67404957.51 3387383.178 2034236.805 15326585.37 Flavin adenine dinucleotide 306441.7178 1841692.466 21268811.88 306122.449 166415.0943 187696.7096 764449.8186 1088278.388 1343786.295 332324.8408 2050144.509 371692.7454 3005229.456 2511390.728 492557.0228 776736.4939 506133.3333 5584741.488 873027.2597 1689266.156 10281852.32 760253.4562 12418273.38 796947.6744 15327762.43 3094961.665 2209141.274 7972081.218 6045140.665 1528358.209 1067540.574 5246651.786 1605939.227 2806473.829 1277221.527 990291.2621 2310477.454 5820263.158 2886797.386 2187990.196 1149513.213 1098172.324 424742.268 11421208.23 2619347.319 1933656.958 553125 967994.8586 9388958.991 2850532.725 2445526.316 2275561.427 3839069.264 2436945.813 2948872.18 666007.9051 1611143.271 667532.4675 820618.5567 1249294.118 2707377.866 2282002.535 1298240.469 1762823.834 2465416.178 430723.7814 3348630.887 4664730.878 713084.1121 1365335.235 8989268.293 Tryptophan 4632363344 4708715170 3383328713 6524361633 4298169811 1030463090 5777487908 3946360806 6358462950 4412296656 3486081069 3706720199 5622132978 6115851258 5020978391 6571427343 6110906400 8275115763 9997207174 7337765170 5369881352 5030513018 5682389209 6280902471 6264156768 7948866265 5698534626 5288680457 8372639386 6279476866 6877864295 7139501004 4324029144 4497640909 6189370713 6266175534 4443754907 5363904211 5760104967 5490141299 5360157163 5661364491 3674553866 3143823522 5450085431 5379109061 5895282031 5122604242 6235139222 5121748554 6033036184 5326061691 5958884848 6581128448 6555499356 6581507378 5643635456 4045350866 3145298855 4826558353 4649976371 4220789987 3890996774 3903929793 3764391559 2055217873 6311497919 4773073796 6421956386 5506026248 4799252561 Serotonin 62597239.26 32256346.75 9357549.505 20983129.25 3890062.893 6855364.807 12683675.94 2167399.267 1527293.844 16795382.17 10472687.86 1613086.771 7270010.672 5881324.503 15557382.95 17473208.38 43107866.67 25029255.99 69995408.9 13324205.91 18659699.62 38210714.29 21759136.69 20112500 14947237.57 40728806.13 20028670.36 25829695.43 44795396.42 23855597.01 26147565.54 26535602.68 15777900.55 24959917.36 6632665.832 60773592.23 30510610.08 35045526.32 37145228.76 19157720.59 44395410.29 854046.9974 2396262.887 4278277.635 21767599.07 11606148.87 40139713.54 12411311.05 11275814.93 35140182.65 31768157.89 11979920.74 11951731.6 15152586.21 7948012.889 28200131.75 12372937.77 13404978.35 2622909.507 11010000 3452841.476 6319264.892 11574486.8 27623186.53 11618522.86 6481831.61 21261336.25 14802407.93 23036137.07 15944793.15 9507804.878 Xanthurenic acid 455521.4724 1057275.542 2531806.931 1558367.347 2675345.912 6263805.436 766626.3603 3039926.74 3048315.912 1257802.548 2382080.925 3101422.475 5244823.906 1600000 7408283.313 3993936.053 2926400 4181336.696 18195552.37 2658378.97 1845807.259 1242396.313 5179712.23 2450872.093 3445856.354 3312705.367 2516343.49 2322208.122 2664578.005 1935199.005 1730212.235 2168638.393 2490607.735 3598209.366 2951439.299 442912.6214 1605702.918 2489210.526 1962091.503 2368995.098 1178998.609 5360574.413 3545360.825 5746015.424 2411421.911 3097572.816 1834375 2360668.38 3887276.551 1300000 5075921.053 2975033.025 2191883.117 2209482.759 4630397.422 2050592.885 6485383.502 3896969.697 2713516.609 5140588.235 3519940.179 4691001.267 3129618.768 6869300.518 2038452.521 1907976.366 7174479.737 2063314.448 5221339.564 2019828.816 2165853.659 3-Indoleacetic acid 48292024.54 17749019.61 160869802 99302312.93 391433962.3 764545493.6 31544740.02 55445787.55 128777932.6 22104936.31 201421242.8 99385348.51 170727428 59299602.65 583689315.7 148839691.3 196899866.7 398730138.7 303297130.6 106539978.1 111993742.2 288346082.9 168637266.2 159023982.6 63934806.63 165978860.9 98487950.14 405291751.3 172978644.5 140925373.1 99516604.24 123579910.7 72209254.14 186864049.6 131115394.2 151550485.4 167155172.4 343470526.3 113852810.5 95433210.78 75530041.72 32506005.22 58563015.46 134859640.1 50421328.67 78059870.55 71121744.79 145659383 177696214.5 77293607.31 197675394.7 192102113.6 83112987.01 75728817.73 165593340.5 76787220.03 268961794.5 225622402.6 37599312.71 70310823.53 41904885.34 71223067.17 90562170.09 180731606.2 63860375.15 41125701.62 139624644 75818555.24 172338629.3 120713980 90597439.02 5-Hydroxyindole-3-acetic acid 1059049.08 304231.1662 1278341.584 994557.8231 529811.3208 1343490.701 776299.8791 918681.3187 2115795.587 1500636.943 1090751.445 1206401.138 3443116.329 635761.5894 3131932.773 772657.1114 8895333.333 964060.5296 2656241.033 1175136.911 664080.1001 1775576.037 1078992.806 2915697.674 1087430.939 288828.0394 1643351.801 876649.7462 681457.8005 660945.2736 441073.6579 1339620.536 770027.6243 1303305.785 851564.4556 593203.8835 723209.5491 591842.1053 855816.9935 899754.902 460778.8595 1596866.841 1348067.01 5949100.257 1101631.702 439805.8252 2319791.667 1026606.684 1119137.75 88584.47489 4108289.474 861558.7847 1019696.97 1804064.039 855531.6864 1258761.528 1675253.256 838636.3636 1052119.129 1827764.706 436789.6311 1178960.71 1180351.906 1519818.653 942672.9191 1120974.889 1000985.761 4333711.048 1416043.614 489871.612 472926.8293 Asparagine 567484355.8 674208565.5 349130693.1 470705850.3 597400503.1 487705150.2 523274486.1 595888644.7 389273403 544731051 519145809.2 628067994.3 517926787.6 617901721.9 420820408.2 447589084.9 697606266.7 495758638.1 499635150.6 612559474.3 537245056.3 509271313.4 497666330.9 463690697.7 600105386.7 516022343.9 530464819.9 434688705.6 540507161.1 482834204 490106616.7 683012946.4 464419337 506207300.3 500993241.6 456260194.2 548629575.6 457490131.6 514705359.5 487915686.3 650139082.1 394578981.7 470429639.2 672953727.5 543912704 459838187.7 503282682.3 466232262.2 539049632 586096347 576501578.9 505451122.9 519390692.6 621073645.3 541719119.2 525691699.6 444651809 975284523.8 704393699.9 477050235.3 593242871.4 376499873.3 476868328.4 457911917.1 869177139.5 658248449 529427820.4 723077620.4 562380062.3 822959343.8 442363902.4 3-Hydoxykynurenine 287423.3129 586790.5057 1448267.327 0 637358.4906 10395851.22 264812.5756 1919413.919 1042392.567 1414490.446 637716.763 8406827.881 436392.7428 0 3359903.962 289415.656 0 864060.5296 241032.9986 0 733291.6145 922119.8157 0 468459.3023 788121.547 400328.5871 583795.0139 2743147.208 673657.289 512686.5672 258676.6542 403459.8214 514640.884 76308.53994 677596.9962 215728.1553 809814.3236 1286578.947 172026.1438 2106617.647 158831.7107 1447127.937 5941108.247 1001928.021 435198.1352 1441909.385 6309244.792 1138046.272 2869505.783 1326940.639 275789.4737 4253368.56 1999025.974 3387561.576 344146.0795 2235046.113 4078437.048 1621861.472 484765.1775 1624588.235 1332502.493 1840684.411 4120821.114 1109326.425 3720046.893 256425.4062 929025.1917 3494192.635 4661526.48 4519971.469 4376585.366 Indoxyl sulfate 7330061.35 8422497.42 0 22042448.98 145265660.4 37186409.16 0 52624175.82 44610569.11 36558917.2 48749710.98 55985064.01 56845250.8 0 215066146.5 55012679.16 47198400 33350567.47 7879053.085 40571851.04 37998498.12 21152073.73 120411654.7 14560465.12 44567541.44 44836035.05 28505540.17 58205583.76 66439514.07 20439801 31041573.03 42618526.79 50374585.64 23933884.3 46714142.68 66661747.57 81916976.13 43976447.37 8301830.065 28791299.02 29249374.13 0 80075128.87 0 21961771.56 78936893.2 31752604.17 44465424.16 16814405.89 36359969.56 94070657.89 51176221.93 54807900.43 8240517.241 19401396.35 16909881.42 91886830.68 10864718.61 4197709.049 472588.2353 3850847.458 94902534.85 12942521.99 210588471.5 17269050.41 0 100532639.6 6123087.819 120442990.7 51276747.5 10967439.02 Niacinamide 9601993.865 3879772.962 16940346.53 14960816.33 18816352.2 17304148.78 15317896.01 476739.9267 7341927.991 7634394.904 29213150.29 12936557.61 10339594.45 12367417.22 5413565.426 10546086 15851733.33 9662168.979 15286370.16 8026834.611 22072465.58 13430069.12 16158273.38 17542296.51 24390193.37 28800547.65 30985318.56 40066370.56 662276.2148 15845398.01 31446317.1 23574888.39 10763121.55 80440.77135 17526032.54 14780776.7 13447877.98 17730000 8845620.915 33425245.1 13579276.77 8895039.164 4956829.897 11219408.74 29210722.61 7172815.534 18925130.21 9359383.033 14259726.6 25893759.51 14849605.26 68613077.94 16184090.91 18556157.64 24677551.02 10130434.78 18956729.38 3848484.848 9557617.411 22297176.47 6619940.179 14636375.16 9471407.625 12511658.03 22288511.14 5565878.877 32126944.14 11627903.68 11019314.64 27227817.4 9737317.073 Folitixorin 0 0 0 0 0 0 0 10220695.97 0 0 0 0 0 1636291.391 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1513788.66 0 1777972.028 0 9944921.875 0 0 0 0 0 0 0 0 0 2002026.049 0 0 2288000 757328.016 0 0 0 2379484.174 0 0 3070821.53 0 0 1170000 Folinic acid 2952607.362 1667182.663 1555816.832 7160272.109 579874.2138 1621602.289 1548004.837 3950366.3 2954239.257 5366401.274 2101156.069 2732859.175 5536286.019 3203178.808 5625090.036 2877949.283 5599600 6829129.887 1238880.918 5601861.993 5308135.169 2965207.373 20365467.63 9890116.279 2255386.74 3728477.547 8110803.324 3323350.254 8430690.537 3890920.398 1552808.989 2760825.893 3710911.602 2003994.49 3709887.359 2459417.476 2677453.581 13120394.74 4320522.876 5034436.275 3441307.371 2843864.23 4061597.938 8610411.311 7662820.513 5251779.935 2390364.583 3292287.918 7861829.653 4664687.976 5246447.368 4963143.989 2528571.429 4685344.828 2272073.04 8793544.137 25752822 1266233.766 1163459.336 2976117.647 1393120.638 7890367.554 8284310.85 4473186.528 1270457.21 5763958.641 3799233.297 2136543.909 11666355.14 21533523.54 7127073.171 Kynurenic acid 1961042.945 3919711.042 13992821.78 4301224.49 6268805.031 7353791.13 2580532.044 12458791.21 12447270.62 3530414.013 5438728.324 3363157.895 24525613.66 3730860.927 24402280.91 7184895.259 4859733.333 12018663.3 7843758.967 3418948.521 4597747.184 7856912.442 20140000 9534447.674 6038950.276 9768893.757 3180332.41 4696446.701 11783759.59 4652487.562 3350062.422 3495758.929 5123342.541 16469146.01 11073216.52 6668349.515 3036074.271 10168684.21 3489150.327 16447303.92 4163004.172 11697389.03 7858247.423 31964781.49 3010606.061 23666990.29 4986588.542 9640488.432 25304100.95 4918112.633 15833026.32 9986789.96 15746753.25 4478078.818 8710418.904 6455862.978 19531982.63 56995887.45 16379839.63 14213529.41 12580159.52 16129150.82 16812316.72 20240673.58 12446893.32 6361595.273 45725082.15 9655665.722 12712772.59 10762910.13 16138048.78 5-Hydroxy-L-tryptophan 2112423.313 1144066.047 477722.7723 912244.898 566289.3082 1263090.129 732285.3688 1160989.011 1404065.041 991719.7452 2267919.075 1719345.661 961579.5091 362119.2053 1012124.85 181146.6373 395066.6667 1036191.677 908321.3773 674808.3242 932290.363 527419.3548 0 230232.5581 842679.558 315443.5926 461772.8532 1273477.157 756649.6164 667412.9353 1240449.438 494754.4643 879143.6464 161570.2479 997872.3404 1764271.845 486870.0265 153815.7895 269019.6078 469607.8431 0 650391.6449 223453.6082 3376606.684 1266899.767 1242394.822 1990494.792 293701.7995 1171713.985 1706392.694 517368.4211 427608.9828 1176515.152 111945.8128 220945.2202 288010.5402 359189.5803 232900.4329 1061855.67 554000 538584.2473 653231.9392 1542668.622 1611658.031 683704.5721 724667.6514 1046330.778 1136968.839 1004984.424 801711.8402 816585.3659 Anthranilate 627300.6135 630959.7523 1350866.337 805442.1769 1108679.245 1743919.886 640507.8597 978205.1282 178397.2125 392515.9236 1262572.254 237695.5903 949946.6382 885562.9139 706482.593 1062624.035 310400 744514.5019 921090.3874 1076670.318 1238297.872 819470.0461 623884.8921 1020639.535 962292.8177 856626.506 847368.4211 538197.9695 1058567.775 610696.5174 1177028.714 565290.1786 454143.6464 900964.1873 900750.9387 1194757.282 848275.8621 638421.0526 309542.4837 886151.9608 1002086.231 1015535.248 1126288.66 525064.2674 968648.0186 1108737.864 607682.2917 425449.8715 1295583.596 1063774.734 748421.0526 1104227.213 2374675.325 990024.6305 1134908.7 1212384.717 957163.5311 822510.8225 1455899.198 884588.2353 277068.7936 1870849.176 555131.9648 688730.5699 655803.0481 248449.0399 1176560.789 1662181.303 1389875.389 710841.6548 409146.3415 Indole-3-propionic acid 842944.7853 1899380.805 609777.2277 24438503.4 18352830.19 509728.1831 781741.2334 1191941.392 76634494.77 20866560.51 1811509827 760642532 16565848.45 553642.3841 85555942.38 973869.9008 92594266.67 1153215.637 6113055.954 7390690.033 14266082.6 38103917.05 94302302.16 14846366.28 12413812.15 25935815.99 15923822.71 1842795939 36955882.35 5471393.035 9202621.723 40412611.61 36705110.5 47922727.27 53187609.51 75837475.73 31553183.02 10067631.58 16405620.92 21685661.76 12372879 889033.9426 37148067.01 1046143.959 15656993.01 899352.7508 5638671.875 87180334.19 14159936.91 58456621 24766842.11 38453368.56 23861255.41 13495566.5 10781525.24 26190382.08 1949493.488 6766558.442 800458.1901 868235.2941 2296011.964 6527883.397 1960263.93 72965284.97 2354865.182 1282274.742 16182475.36 1690651.558 139153738.3 12600285.31 3060365.854 Quinaldic acid 781901.8405 699690.4025 3758787.129 2202040.816 1672578.616 393133.0472 754292.6239 7188644.689 5215447.154 874522.293 2513439.306 651778.0939 3737886.873 2517086.093 1863865.546 1282690.187 8801466.667 5392055.485 2854662.841 2611719.606 2346933.667 2218317.972 10228057.55 2268459.302 2692817.68 4720920.044 2352216.066 2353680.203 5156265.985 1619154.229 2066292.135 3429464.286 1372375.691 3086088.154 2410012.516 2993203.883 2369496.021 5955263.158 2578169.935 5545220.588 2228094.576 976240.2089 3028350.515 3774421.594 1471212.121 3752103.56 1494661.458 2377120.823 7026393.27 3581887.367 6049473.684 5043328.93 4719696.97 2283128.079 3089903.33 2224769.433 8518089.725 11238636.36 1867926.69 1867058.824 2624327.019 6496451.204 2173900.293 5195984.456 2275029.308 1231462.334 5113253.012 1746317.28 4707165.109 3675463.623 3512439.024 Indole-3-butyric acid 877607.362 0 2874876.238 1151836.735 1372955.975 4545350.501 630955.26 3893772.894 1236353.078 0 7210260.116 1689615.932 0 613245.0331 3346578.631 348732.0838 1149600 1104035.309 917647.0588 493209.2004 868710.8886 1458064.516 1565899.281 1433139.535 510220.9945 457174.1512 757202.2161 1056979.695 1449104.859 484825.8706 922097.3783 1276674.107 374585.6354 942837.4656 708510.6383 760582.5243 1187400.531 1358421.053 1167973.856 899264.7059 505285.1182 2644778.068 0 1395501.285 476456.8765 628317.1521 798437.5 871979.4344 0 543987.8234 1041315.789 278335.535 236471.8615 347536.9458 270891.5145 0 3296237.337 1145562.771 0 672235.2941 591525.4237 0 445307.9179 1062564.767 412309.4959 0 656297.9189 0 1052024.922 1155920.114 0 Spermine 3688803.681 4947574.819 6168069.307 1530340.136 3729182.39 4693991.416 1409673.519 6715384.615 8047851.336 1671974.522 2747687.861 6952631.579 4152294.557 2293774.834 8911284.514 5043660.419 5590000 3179571.248 4172309.9 6280175.246 2912765.957 4624193.548 5504748.201 3440261.628 5416574.586 3427601.314 2030193.906 4354949.239 5985805.627 5545149.254 3684019.975 4339285.714 1735911.602 5677410.468 3671839.8 4077669.903 2694827.586 5473421.053 4320392.157 2543872.549 2742976.356 4475195.822 6201159.794 14738688.95 1397086.247 4286569.579 3428515.625 4940745.501 4557413.249 3480821.918 7731973.684 4534478.203 3712987.013 5107881.773 2276047.261 3671014.493 12529811.87 2015367.965 2490263.459 2167058.824 2708773.679 3513307.985 2486070.381 14032124.35 1884642.438 2864549.483 5802190.581 6082436.261 9036915.888 1918544.936 2888048.78 Putrescine 9544478.528 0 0 0 0 0 0 3149816.85 2602322.88 4309872.611 15566473.99 0 0 0 0 0 0 0 0 0 0 0 0 0 3891298.343 4253669.222 1273961.219 4201395.939 407544.757 2225000 2687765.293 1547098.214 922237.5691 0 1735419.274 0 0 0 1818562.092 3341911.765 0 945300.2611 863659.7938 3827506.427 3762820.513 950647.2492 1663671.875 919794.3445 826288.1178 1022374.429 2483421.053 1299603.699 1711688.312 537684.7291 0 1073122.53 0 2331601.732 0 0 0 0 0 1915025.907 678194.6073 1400738.552 2258707.558 664022.6629 3911993.769 3092724.679 0 Hippuric Acid 172392.638 11660268.32 381683.1683 3297142.857 3166792.453 860515.0215 59733.97823 1839743.59 5452032.52 627707.0064 1673554.913 776955.9033 2561045.891 120529.8013 3579471.789 737706.7255 4443333.333 804161.4124 668866.571 2756297.919 392615.7697 1226152.074 13197841.73 3263662.791 289640.884 4209529.025 754293.6288 1153426.396 1303069.054 210447.7612 8838951.311 642075.8929 17178314.92 1053581.267 2032415.519 2519223.301 2275464.191 416842.1053 399738.5621 2033333.333 536161.3352 293733.6815 2427190.722 1428020.566 267482.5175 806796.1165 1330598.958 6559125.964 3915667.718 1577473.364 5762105.263 2186261.559 874567.0996 407512.3153 1234801.289 1038208.169 370911.7221 1118181.818 472164.9485 304235.2941 205682.9511 534093.7896 385043.9883 15622279.79 115592.0281 174446.0857 679956.1884 431586.4023 7762928.349 920114.1227 5340000 Urea 653110122.7 1767019711 2761060644 2201328163 2173704654 2773530472 1024215840 1969201832 3015146806 1662382325 1436775578 1910843812 1270717930 1303291258 2900646699 1511631312 1543065333 2643611980 1959173027 1393783680 1551762703 1516762558 2962152518 2004802907 2449446961 1535112158 1353684211 1190742386 2433813683 1877085448 1110679151 1516271652 1431190884 1589193526 2012012516 1904184272 1476958355 1739671711 1440667974 1702943995 1599885675 2110740862 2546998067 3081359383 1516280536 2059205178 1363650911 2163783419 2138821030 1372485540 3019746974 1351505812 2304382684 1535140394 1321605800 1564740448 3295435456 2008399892 1588958877 1528522588 2158986241 2426658175 2650342375 3286998834 1541486753 1089232792 2775606900 2654079037 2534036293 1155382739 1483568415 3-Aminobutyric acid 4126840.491 1299587.203 511757.4257 2191972.789 3162138.365 1899570.815 984401.451 1989194.139 525551.6841 2369745.223 2138439.306 1334139.403 1160725.72 1721721.854 2202641.056 4928555.678 1816000 2307566.204 2331994.261 1924424.973 1745306.633 2134216.59 2881582.734 2697529.07 3290331.492 2210076.67 2073822.715 2310406.091 1647186.701 3022139.303 1822721.598 1315736.607 1703729.282 4337741.047 2090738.423 2171650.485 2568567.639 1461052.632 1600000 2206862.745 2666481.224 2285117.493 1788273.196 2173521.851 1639860.14 1425242.718 3280729.167 3002699.229 2086014.721 2632724.505 35281710.53 13857463.67 1685714.286 1479679.803 2487755.102 2779578.393 2938929.088 756926.4069 1852462.772 1604117.647 1265204.387 6556147.022 1856158.358 1015155.44 1487924.971 1220384.047 1405038.335 1266430.595 2078971.963 3232524.964 4039634.146 Picolinic acid 2031441.718 2328586.171 8319059.406 2245714.286 1583270.44 4134620.887 4449455.865 2308424.908 5313124.274 1465605.096 107095231.2 556330.0142 2322625.4 312185.4305 2971188.475 2082359.427 2512000 2094703.657 4147202.296 1738116.101 1565707.134 8241359.447 30884028.78 4126162.791 2079143.646 2970536.692 392243.7673 2284390.863 3909335.038 3190174.129 709737.8277 3750000 2300000 3006473.829 2168961.202 1003689.32 4957559.682 6768421.053 2564836.601 3177450.98 2169680.111 450130.5483 5086082.474 1713367.609 3458275.058 5412297.735 6613541.667 4788817.481 13400525.76 3781278.539 3646710.526 1543593.131 53606493.51 3613669.951 2444038.668 3555335.968 14447178 9176623.377 4961626.575 2293529.412 9735992.024 14516856.78 8562903.226 1863989.637 7835638.921 5483308.715 7614786.418 4339801.7 3736137.072 633380.8845 3356585.366 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Ornithine Serine Creatine Lysine Glutamine Glycine Cystathionine Dimethylglycine Cysteine Threonine Citrulline L-Met (IS) Proline Carnosine 2-Aminobutyric acid Choline Valine Argininosuccinic acid Histidine Symmetric dimethylarginine Uridine S-Adenosylmethionine Creatinine Carnitine Arginine Asymmetric dimethylarginine 4-Aminobutyric acid (GABA) Thymine Methionine Inosine Dopa Cytidine Isoleucine Leucine Adenylsuccinic acid Guanosine S-Adenosylhomocysteine Kynurenine Thymidine Pantothenic acid Tyrosine Adenosine Phenylalanine Acetylcarnitine Cytosine Hypoxanthine Uracil Adenine Alanine Biotin B7 Flavin adenine dinucleotide Tryptophan Serotonin Xanthurenic acid 3-Indoleacetic acid 5-Hydroxyindole-3-acetic acid Asparagine 3-Hydoxykynurenine Indoxyl sulfate Niacinamide Folitixorin Folinic acid Kynurenic acid 5-Hydroxy-L-tryptophan Anthranilate Indole-3-propionic acid Quinaldic acid Indole-3-butyric acid Spermine Putrescine Hippuric Acid Urea 3-Aminobutyric acid Picolinic acid METABOLITES_END #END